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科研机构

兰州理工大学 [15]

广州能源研究所 [3]

宁波材料技术与工程研... [2]

上海药物研究所 [2]

光电技术研究所 [1]

沈阳自动化研究所 [1]

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期刊论文 [23]

会议论文 [2]

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2020 [25]

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Engineerin... [1]

Polymer Sc... [1]

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发表日期：2020

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	Identify potent SARS-CoV-2 main protease inhibitors via accelerated free energy perturbation-based virtual screening of existing drugs 期刊论文 PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2020, 卷号: 117, 期号: 44, 页码: 27381-27387 作者: Li, Zhe; Li, Xin; Huang, Yi-You; Wu, Yaoxing; Liu, Runduo 收藏 \| 浏览/下载：75/0 \| 提交时间：2020/12/24 virtual screening SARS-CoV-2 drug repurposing free energy perturbation main protease
	Phase field simulation of grain growth in Al2O3-based composite ceramic cutting tool materials containing second phase nanoparticles and pores 期刊论文 Materials Research Express, 2020, 卷号: 7, 期号: 11 作者: Zhou, Youxin; Peng, Bin 收藏 \| 浏览/下载：14/0 \| 提交时间：2022/02/17 Alumina Aluminum oxide Ceramic cutting tools Free energy Grain boundaries Grain size and shape Microstructure Nanocomposites Nanoparticles Particle size Volume fraction Free-energy parameters Grain growth process Grain-boundary energy Nano-composite ceramics Phase-field simulation Pore volume fractions Second phase particles Uniform microstructure
	Investigation on the transient response of a porous half-space with strain and thermal relaxations 期刊论文 European Journal of Mechanics, A/Solids, 2020, 卷号: 84 作者: He, Shuangquan; Peng, Wei; Ma, Yongbin; He, Tianhu 收藏 \| 浏览/下载：8/0 \| 提交时间：2020/11/14 Constitutive equations Free energy Geometry Heat conduction Laplace transforms Porous materials Strain relaxation Thermoelasticity Constitutive relations Dimensional temperatures Heat-conduction law Numerical inversion Porous half space Thermal relaxation Thermo-elastic theory Thermodynamic laws
	Application of power law in conductivity of binary mixed rhamnolipid surfactant systems 期刊论文 Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2020, 卷号: 603 作者: Zhang, Hongjie; Zhang, Youxian; Jia, Zongqian; Zhou, Zhifang 收藏 \| 浏览/下载：8/0 \| 提交时间：2020/11/14 Additives Dissociation Electrolytes Free energy Lipids Molar concentration Surface active agents Aggregation behavior Critical aggregation concentration Extremely dilute solution Gibbs standard free energy Henry's law coefficient Interface adsorption Limiting molar conductivity Molar conductivities
	Cu@porphyrin-COFs nanorods for efficiently photoelectrocatalytic reduction of CO2 期刊论文 Chemical Engineering Journal, 2020, 卷号: 396 作者: Wang, Bing; Yang, Fangling; Dong, Yapeng; Cao, Youzhi; Wang, Jinyuan 收藏 \| 浏览/下载：10/0 \| 提交时间：2020/11/14 Acetone Carbon dioxide Catalyst activity Copper Energy policy Nanorods Porphyrins Carbon-based CO2 reduction Energy crisis Faradaic efficiencies Free base porphyrins Hydroxyl groups Photoelectrocatalytic Solvothermal method
	Rh2S3/N-Doped Carbon Hybrids as pH-Universal Bifunctional Electrocatalysts for Energy-Saving Hydrogen Evolution 会议论文作者: Zhang, Chaoxiong; Liu, Haoxuan; Liu, Yifan; Liu, Xijun; Mi, Yuying 收藏 \| 浏览/下载：19/0 \| 提交时间：2020/12/18 Alkalinity Anodic oxidation Carbon Catalyst activity Cost effectiveness Electrocatalysts Electrolytes Energy conservation Energy utilization Free energy Hydrazine Hydrogen evolution reaction Oxygen evolution reaction Rhodium compoundsAnodic reactions Bifunctional electrocatalysts Electrolysis systems Free energy change Hydrazine oxidation Hydrogen evolution Hydrogen generations Theoretical calculations
	Rh2S3/N-Doped Carbon Hybrids as pH-Universal Bifunctional Electrocatalysts for Energy-Saving Hydrogen Evolution 期刊论文 Small Methods, 2020, 卷号: 4, 期号: 9 作者: Zhang, Chaoxiong; Liu, Haoxuan; Liu, Yifan; Liu, Xijun; Mi, Yuying 收藏 \| 浏览/下载：12/0 \| 提交时间：2022/02/17 Alkalinity Anodic oxidation Carbon Catalyst activity Cost effectiveness Electrocatalysts Electrolytes Energy conservation Energy utilization Free energy Hydrazine Hydrogen evolution reaction Oxygen evolution reaction Rhodium compounds Anodic reactions Bifunctional electrocatalysts Electrolysis systems Free energy change Hydrazine oxidation Hydrogen evolution Hydrogen generations Theoretical calculations
	Rh2S3/N-Doped Carbon Hybrids as pH-Universal Bifunctional Electrocatalysts for Energy-Saving Hydrogen Evolution 期刊论文 Small Methods, 2020, 卷号: 4, 期号: 9 作者: Zhang, Chaoxiong; Liu, Haoxuan; Liu, Yifan; Liu, Xijun; Mi, Yuying 收藏 \| 浏览/下载：9/0 \| 提交时间：2020/11/14 Alkalinity Anodic oxidation Carbon Catalyst activity Cost effectiveness Electrocatalysts Electrolytes Energy conservation Energy utilization Free energy Hydrazine Hydrogen evolution reaction Oxygen evolution reaction Rhodium compounds Anodic reactions Bifunctional electrocatalysts Electrolysis systems Free energy change Hydrazine oxidation Hydrogen evolution Hydrogen generations Theoretical calculations
	Thermodynamic evaluation of sorption-enhanced chemical looping gasification with coal as fuel 期刊论文 INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2020, 卷号: 45, 期号: 41, 页码: 21186-21194 作者: Li, Bowen; Wang, Shuai; Yang, Xuesong; Wu, Qiang; He, Yurong 收藏 \| 浏览/下载：22/0 \| 提交时间：2020/10/30 Chemical looping gasification Coal Sorption Gibbs free energy
	Mechanistic in silico modeling of bisphenols to predict estrogen and glucocorticoid disrupting potentials 期刊论文 SCIENCE OF THE TOTAL ENVIRONMENT, 2020, 卷号: 728, 页码: 1-11 作者: Chen, Qinchang; Zhou, Chengzhuo; Shi, Wei; Wang, Xiaoxiang; Xia, Pu 收藏 \| 浏览/下载：20/0 \| 提交时间：2021/09/14 Endocrine disruptor Estrogen receptor Glucocorticoid receptor Coregulators Accelerated molecular dynamics simulations Binding free energy

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